SCHEMBL16776197

SCHEMBL16776197

O=C(Nc1cncc(F)c1)N1CCCNc2ccc(-c3ccnc(N4CCCC4)c3)nc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 1/20 0.40
▸ PRKD1 Q15139 1/20 0.40
▸ PRKD2 Q9BZL6 1/20 0.40
▸ KARS1 Q15046 8/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ DYRK1A Q13627 6/20 0.36
▸ CLK2 P49760 3/20 0.36
▸ CLK3 P49761 3/20 0.36
▸ CDK1 P06493 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ SMG1 Q96Q15 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CDC42BPB Q9Y5S2 1/20 0.35
▸ WNT1 P04628 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16776077 0.90 DYRK1A (0.35) KARS1DYRK1ARAF1BRAFWNT1
SCHEMBL16776025 0.88 CYP11B2 (0.38) DYRK1ACLK2CLK3
SCHEMBL16776147 0.88 KARS1 (0.35) KARS1DYRK1ACLK2CLK3
SCHEMBL16776000 0.87 PRKCI (0.39) KARS1CNR1
SCHEMBL16776194 0.86 FGFR4 (0.42) PRKD3PRKD1PRKD2KARS1CNR1
SCHEMBL16776011 0.84 CA9 (0.38) CNR1
SCHEMBL16776171 0.84 KARS1 (0.48) PRKD3PRKD1PRKD2KARS1DYRK1A
SCHEMBL16776185 0.84 HTR2C (0.40) DYRK1A
SCHEMBL16775916 0.83 FAAH (0.38) CNR1
SCHEMBL16775826 0.82 CA2 (0.40) RAF1BRAF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PRKD3 1969/4885PRKD1 2346/4885PRKD2 1825/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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